4-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Openeye Name: 4-[(1S)-1-methylpropyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzenesulfonamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O4S3/c1-4-12(2)13-5-7-14(8-6-13)27(23,24)20-18-19-16-10-9-15(26(3,21)22)11-17(16)25-18/h5-12H,4H2,1-3H3,(H,19,20)/t12-/m0/s1